The Gagliardi group develops novel quantum chemical methods and applies them to study phenomena related to sustainable energies, with special focus on chemical systems relevant to catalysis, spectroscopy, photochemistry, and gas separation. We are interested in modeling molecular species, materials, and interfaces. We explore actinide and transactinide chemistry, with the aim of understanding the chemical bonding in molecular species and the processes that govern the formation of actinide-based materials relevant to the spent nuclear fuel reprocessing. We also explore phenomena related to gas separation. Read more about the Gagliardi Group research on the research overview page.